LAMMPS (2 Jun 2020)
  using 1 OpenMP thread(s) per MPI task
# 3d EAM surface for local HD

# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
# hop event on (100) surface is same distance
# exchange event is 2 atoms moving same distance

variable        Tequil index 400.0
variable        Vmax index 0.4
variable        qfactor index 0.3
variable        cutbond index 3.2
variable        Dcut index 10.0
variable        cutevent index 1.1
variable        alpha index 200.0
variable        boost index 4000.0
variable        ghostcut index 12.0
variable        steps index 2000
variable        nevent index 100
variable        nx index 2
variable        ny index 2
variable        zoom index 1.8
variable        seed index 3875984
variable        tol index 1.0e-15
variable        add index 50

units           metal
atom_style	atomic
atom_modify     map array
boundary        p p p
comm_modify     cutoff ${ghostcut}
comm_modify     cutoff 12.0

lattice		fcc 3.92
Lattice spacing in x,y,z = 3.92 3.92 3.92
region		box block 0 6 0 6 0 4
create_box	2 box
Created orthogonal box = (0.0 0.0 0.0) to (23.52 23.52 15.68)
  2 by 2 by 1 MPI processor grid
create_atoms	1 box
Created 576 atoms
  create_atoms CPU = 0.000 seconds

mass            * 1.0

change_box      all z final -0.1 5.0 boundary p p f
  orthogonal box = (0.0 0.0 -0.392) to (23.52 23.52 19.6)
WARNING: Reset image flags for non-periodic boundary (src/domain.cpp:1909)

# replicate in xy

replicate       ${nx} ${ny} 1
replicate       2 ${ny} 1
replicate       2 2 1
  orthogonal box = (0.0 0.0 -0.392) to (47.04 47.04 19.6)
  2 by 2 by 1 MPI processor grid
  2304 atoms
  replicate CPU = 0.000324488 secs

# add adatoms

include         adatoms.list.${add}
include         adatoms.list.50
create_atoms 1 single 5 9 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 4.5 7.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 6 6 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 5 6 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 4.5 1.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 6.5 7.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 10.5 5.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 2.5 1.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 3.5 4.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 0 10 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 11 10 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 6.5 10.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 3.5 5.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 7.5 10.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 1.5 1.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 1.5 6.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 7 2 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 4 0 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 9 0 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 4 9 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 10 7 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 4 4 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 9.5 2.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 1 5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 7 10 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 0 4 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 1 10 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 7.5 6.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 4 10 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 6.5 3.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 3 6 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 8.5 4.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 6.5 0.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 1 4 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 8.5 11.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 3 9 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 2 3 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 6.5 8.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 1 0 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 0.5 10.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 4 11 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 3 5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 0 1 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 2 11 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 2 0 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 7.5 11.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 1 7 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 3.5 10.5 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 0 2 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 1 single 8 4 4
Created 1 atoms
  create_atoms CPU = 0.000 seconds

# define frozen substrate and mobile atoms

region          base block INF INF INF INF 0 1.8
set             region base type 2
  1152 settings made for typegroup           base type 2
1152 atoms in group base
group           mobile type 1
1202 atoms in group mobile

# pair style

pair_style	eam/alloy
pair_coeff	* * ptvoterlammps.eam Pt Pt

neighbor	0.5 bin
neigh_modify    every 1 delay 5 check yes

fix		1 mobile nve
fix		2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
fix		2 mobile langevin 400.0 ${Tequil} 1.0 ${seed} zero yes
fix		2 mobile langevin 400.0 400.0 1.0 ${seed} zero yes
fix		2 mobile langevin 400.0 400.0 1.0 3875984 zero yes

timestep	0.005

compute         tmobile mobile temp

thermo		100
thermo_modify   temp tmobile
WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:486)

# thermal equilibration

run             1000
Neighbor list info ...
  update every 1 steps, delay 5 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.07583
  ghost atom cutoff = 12
  binsize = 3.03792, bins = 16 16 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair eam/alloy, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.443 | 3.443 | 3.443 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -13067.188            0   -13067.188   -53763.139 
     100    216.49187   -13065.694            0   -13032.085   -24077.115 
     200    285.11905   -13057.047            0   -13012.785   -38815.844 
     300    321.67264   -13048.005            0   -12998.068   -29296.124 
     400    352.90893   -13045.707            0    -12990.92   -34630.884 
     500     371.9393   -13041.234            0   -12983.494   -28913.827 
     600    379.08135    -13040.06            0   -12981.211     -33399.8 
     700    388.73836   -13039.691            0   -12979.343   -29446.954 
     800    402.13628   -13040.606            0   -12978.178   -33026.861 
     900    389.43806   -13036.884            0   -12976.427   -30328.658 
    1000    388.66198   -13037.479            0   -12977.142   -30859.145 
Loop time of 0.572404 on 4 procs for 1000 steps with 2354 atoms

Performance: 754.712 ns/day, 0.032 hours/ns, 1747.018 timesteps/s
96.8% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.45189    | 0.4594     | 0.46833    |   0.9 | 80.26
Neigh   | 0.039092   | 0.039772   | 0.040386   |   0.3 |  6.95
Comm    | 0.040249   | 0.051709   | 0.060548   |   3.4 |  9.03
Output  | 0.00014281 | 0.0002625  | 0.00061965 |   0.0 |  0.05
Modify  | 0.017148   | 0.017244   | 0.017364   |   0.1 |  3.01
Other   |            | 0.004017   |            |       |  0.70

Nlocal:    588.5 ave 592 max 581 min
Histogram: 1 0 0 0 0 0 0 1 0 2
Nghost:    1964 ave 1973 max 1959 min
Histogram: 2 0 0 1 0 0 0 0 0 1
Neighs:    14148.8 ave 14283 max 13931 min
Histogram: 1 0 0 0 0 0 1 1 0 1

Total # of neighbors = 56595
Ave neighs/atom = 24.0421
Neighbor list builds = 91
Dangerous builds = 0
reset_timestep  0

# pin base so will not move during quenches

fix             freeze base setforce 0.0 0.0 0.0

# event detection

compute         event all event/displace ${cutevent}
compute         event all event/displace 1.1

# hyper/local

fix             HL mobile hyper/local ${cutbond} ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
fix             HL mobile hyper/local 3.2 ${qfactor} ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
fix             HL mobile hyper/local 3.2 0.3 ${Vmax} ${Tequil}                 ${Dcut} ${alpha} ${boost}
fix             HL mobile hyper/local 3.2 0.3 0.4 ${Tequil}                 ${Dcut} ${alpha} ${boost}
fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 ${Dcut} ${alpha} ${boost}
fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 ${alpha} ${boost}
fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 ${boost}
fix             HL mobile hyper/local 3.2 0.3 0.4 400.0                 10.0 200.0 4000.0

# thermo output

thermo_style    custom step temp pe f_HL f_HL[*]
WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:709)

thermo_modify   lost ignore
thermo_modify   temp tmobile
WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:486)

thermo          ${nevent}
thermo          100

# dump

region          substrate block INF INF INF INF 1.8 3.8
region          adatoms block INF INF INF INF 3.8 INF
variable        acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)

dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
dump		1 all image 10000000 local.*.jpg v_acolor type size 1024 1024 		zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
dump_modify	1 pad 6 amap 1 3 sa 1 3 blue red green

# run

hyper           ${steps} ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
hyper           2000 ${nevent} HL event min ${tol} ${tol} 1000 1000 dump 1
hyper           2000 100 HL event min ${tol} ${tol} 1000 1000 dump 1
hyper           2000 100 HL event min 1.0e-15 ${tol} 1000 1000 dump 1
hyper           2000 100 HL event min 1.0e-15 1.0e-15 1000 1000 dump 1
WARNING: Resetting reneighboring criteria during hyper (src/REPLICA/hyper.cpp:131)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.07583
  ghost atom cutoff = 12
  binsize = 3.03792, bins = 16 16 7
  3 neighbor lists, perpetual/occasional/extra = 1 2 0
  (1) pair eam/alloy, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
  (2) fix hyper/local, occasional
      attributes: full, newton on, cut 10
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (3) fix hyper/local, occasional, copy from (1)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 6.786 | 6.786 | 6.786 Mbytes
Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
       0    388.66198   -13037.479            0            1            0            0          0.4            1            0            0            0            0            0            0            0            0            0            0        1e+20            0            0            0            0            0            0            0            0            0            0            1            0 
      68    388.66198   -13101.057            0            1            0            0          0.4            1            0            0            0            0            0            0            0            0            0            0        1e+20            0            0            0            0            0            0         1360            0            0            0            1            0 
Loop time of 0.078882 on 4 procs for 68 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
       0    388.66198   -13037.479    2.1560986            0            7   0.19075505          0.4            0            0            0    5.9276206    1380.4406            0            0            0            0    3.2725891            0        1e+20            0            0            0            0            0            0            0            0            0            0    10345.213            0 
     100    388.08547   -13035.803    1.9458797      5579.52            7   0.22444002          0.4   0.99435481   0.98307948    1.0037683    5.9276206    1380.4406     7612.921         5.23            0            0    3.4801431   0.99683836   0.98307948    1.0037683            0            0            0            0            0         2000            0            0            0    4811.1645            0 
Loop time of 0.0768972 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     100    388.08547   -13035.803    1.9458797      5579.52            7   0.22444002          0.4   0.99435481   0.98307948    1.0037683    5.9276206    1380.4406     7612.921         5.23            0            0    3.4801431   0.99683836   0.98307948    1.0037683            0            0            0            0            0         2000            0            0            0    4811.1645            0 
     171    388.08547   -13101.057    1.9458797      5579.52            7   0.22444002          0.4   0.99435481   0.98307948    1.0037683    5.9276206    1380.4406     7612.921    3.0584795            0            0    3.4801431   0.99683836   0.98307948    1.0037683            0            0            0            0            0         3420            0            0            0    4811.1645            0 
Loop time of 0.0822812 on 4 procs for 71 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     100    388.08547   -13035.803    1.9458309      5579.52            7   0.22444002          0.4   0.99435481   0.98307948    1.0037683    5.9276206    1380.4406     7612.921         5.23            0            0    3.4801431   0.99683836   0.98307948    1.0037683            0            0            0            0            0         2000            0            0            0     4806.677            0 
     200    401.00579   -13036.475    1.7413518    5055.0046            7   0.31164106          0.4   0.99292126   0.97454567    1.0099107    5.9276206    1380.4406    6265.1974          5.8  0.026724138            0    3.7115994   0.99518634   0.97454567    1.0099107            0            0            0            0            0         4000            0            0            0    5975.1486            1 
Loop time of 0.0801389 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     200    401.00579   -13036.475    1.7413518    5055.0046            7   0.31164106          0.4   0.99292126   0.97454567    1.0099107    5.9276206    1380.4406    6265.1974          5.8  0.026724138            0    3.7115994   0.99518634   0.97454567    1.0099107            0            0            0            0            0         4000            0            0            0    5975.1486            1 
     270    401.00579   -13101.057    1.7413518    5055.0046            7   0.31164106          0.4   0.99292126   0.97454567    1.0099107    5.9276206    1380.4406    6265.1974    4.2962963  0.026724138            0    3.7115994   0.99518634   0.97454567    1.0099107            0            0            0            0            0         5400            0            0            0    5975.1486            1 
Loop time of 0.0823423 on 4 procs for 70 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     200    401.00579   -13036.475    1.7412451    5055.0046            7   0.31164106          0.4   0.99292126   0.97454567    1.0099107    5.9276206    1380.4406    6265.1974          5.8  0.026724138            0    3.7115994   0.99518634   0.97454567    1.0099107            0            0            0            0            0         4000            0            0            0    5960.9703            1 
     300    393.06665   -13036.447    1.2104123    4309.6701            6   0.25677049          0.4   0.99077715   0.96163085    1.0121227    5.9276206    1380.4406    5967.5417         5.82   0.03722795 0.0011454754    3.7958861   0.99407566   0.96163085    1.0121227            0            0            0            0            0         6000            0            0            0    2438.7867            0 
Loop time of 0.07828 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     300    393.06665   -13036.447    1.2104123    4309.6701            6   0.25677049          0.4   0.99077715   0.96163085    1.0121227    5.9276206    1380.4406    5967.5417         5.82   0.03722795 0.0011454754    3.7958861   0.99407566   0.96163085    1.0121227            0            0            0            0            0         6000            0            0            0    2438.7867            0 
     371    393.06665   -13101.057    1.2104123    4309.6701            6   0.25677049          0.4   0.99077715   0.96163085    1.0121227    5.9276206    1380.4406    5967.5417    4.7061995   0.03722795 0.0011454754    3.7958861   0.99407566   0.96163085    1.0121227            0            0            0            0            0         7420            0            0            0    2438.7867            0 
Loop time of 0.0849175 on 4 procs for 71 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     300    393.06665   -13036.447     1.210401    4309.6701            6   0.25677049          0.4   0.99077715   0.96163085    1.0121227    5.9276206    1380.4406    5967.5417         5.82   0.03722795 0.0011454754    3.7958861   0.99407566   0.96163085    1.0121227            0            0            0            0            0         6000            0            0            0    2432.9129            0 
     400    395.31214   -13036.548   0.97543536      3697.18            5   0.29627573          0.4   0.99121527   0.95719757    1.0171656    5.9276206    1380.4406    5405.5572       5.8525  0.064502349 0.00085433575    3.8763827   0.99330778   0.95719757    1.0171656            0            0            0            0            0         8000            0            0            0     1494.721            0 
Loop time of 0.0789399 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     400    395.31214   -13036.548   0.97543536      3697.18            5   0.29627573          0.4   0.99121527   0.95719757    1.0171656    5.9276206    1380.4406    5405.5572       5.8525  0.064502349 0.00085433575    3.8763827   0.99330778   0.95719757    1.0171656            0            0            0            0            0         8000            0            0            0     1494.721            0 
     472    395.31214   -13101.057   0.97543536      3697.18            5   0.29627573          0.4   0.99121527   0.95719757    1.0171656    5.9276206    1380.4406    5405.5572    4.9597458  0.064502349 0.00085433575    3.8763827   0.99330778   0.95719757    1.0171656            0            0            0            0            0         9440            0            0            0     1494.721            0 
Loop time of 0.0826263 on 4 procs for 72 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     400    395.31214   -13036.548   0.97546459      3697.18            5   0.29627573          0.4   0.99121527   0.95719757    1.0171656    5.9276206    1380.4406    5405.5572       5.8525  0.064502349 0.00085433575    3.8763827   0.99330778   0.95719757    1.0171656            0            0            0            0            0         8000            0            0            0    1495.2683            0 
     500    407.51943   -13034.684    1.5129292    3762.6056            7   0.32103986          0.4   0.99260954   0.95025478     1.023175    5.9276206    1380.4406    4945.9788        5.798  0.092100724 0.00068989307    3.8763827   0.99301979   0.95024238     1.023175            0            0            0            0            0        10000            0            0            0    2846.6451            1 
Loop time of 0.0785343 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     500    407.51943   -13034.684    1.5129292    3762.6056            7   0.32103986          0.4   0.99260954   0.95025478     1.023175    5.9276206    1380.4406    4945.9788        5.798  0.092100724 0.00068989307    3.8763827   0.99301979   0.95024238     1.023175            0            0            0            0            0        10000            0            0            0    2846.6451            1 
     570    407.51943   -13101.057    1.5129292    3762.6056            7   0.32103986          0.4   0.99260954   0.95025478     1.023175    5.9276206    1380.4406    4945.9788    5.0859649  0.092100724 0.00068989307    3.8763827   0.99301979   0.95024238     1.023175            0            0            0            0            0        11400            0            0            0    2846.6451            1 
Loop time of 0.0831875 on 4 procs for 70 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     500    407.51943   -13034.684    1.5129263    3762.6056            7   0.32103986          0.4   0.99260954   0.95025478     1.023175    5.9276206    1380.4406    4945.9788        5.798  0.092100724 0.00068989307    3.8763827   0.99301979   0.95024238     1.023175            0            0            0            0            0        10000            0            0            0    2845.3486            1 
     600    403.68879   -13034.437    1.6119602    3538.1789            8   0.37263827          0.4   0.99175914   0.94814388    1.0294169    5.9276206    1380.4406    4879.0252        5.805  0.091587712 0.0054550675    3.8763827   0.99287249   0.94770585    1.0294169            0            0            0            0            0        12000            0            0            0    4550.0103            1 
Loop time of 0.0778956 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     600    403.68879   -13034.437    1.6119602    3538.1789            8   0.37263827          0.4   0.99175914   0.94814388    1.0294169    5.9276206    1380.4406    4879.0252        5.805  0.091587712 0.0054550675    3.8763827   0.99287249   0.94770585    1.0294169            0            0            0            0            0        12000            0            0            0    4550.0103            1 
     673    403.68879   -13101.057    1.6119602    3538.1789            8   0.37263827          0.4   0.99175914   0.94814388    1.0294169    5.9276206    1380.4406    4879.0252    5.1753343  0.091587712 0.0054550675    3.8763827   0.99287249   0.94770585    1.0294169            0            0            0            0            0        13460            0            0            0    4550.0103            1 
Loop time of 0.0866084 on 4 procs for 73 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     600    403.68879   -13034.437    1.6118577    3538.1789            8   0.37263827          0.4   0.99175914   0.94814388    1.0294169    5.9276206    1380.4406    4879.0252        5.805  0.091587712 0.0054550675    3.8763827   0.99287249   0.94770585    1.0294169            0            0            0            0            0        12000            0            0            0     4540.524            1 
     700    402.40951   -13034.611   0.81457022    3996.0376            5   0.31795282          0.4   0.99307568    0.9469785    1.0356629    5.9276206    1380.4406    4633.0803    5.7657143   0.10332012 0.0047076313    3.8763827    0.9927955   0.94558506    1.0356629            0            0            0            0            0        14000            0            0            0    2433.3681            2 
Loop time of 0.0783963 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     700    402.40951   -13034.611   0.81457022    3996.0376            5   0.31795282          0.4   0.99307568    0.9469785    1.0356629    5.9276206    1380.4406    4633.0803    5.7657143   0.10332012 0.0047076313    3.8763827    0.9927955   0.94558506    1.0356629            0            0            0            0            0        14000            0            0            0    2433.3681            2 
     773    402.40951   -13101.057   0.81457022    3996.0376            5   0.31795282          0.4   0.99307568    0.9469785    1.0356629    5.9276206    1380.4406    4633.0803     5.221216   0.10332012 0.0047076313    3.8763827    0.9927955   0.94558506    1.0356629            0            0            0            0            0        15460            0            0            0    2433.3681            2 
Loop time of 0.0879632 on 4 procs for 73 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     700    402.40951   -13034.611    0.8145522    3996.0376            5   0.31795282          0.4   0.99307568    0.9469785    1.0356629    5.9276206    1380.4406    4633.0803    5.7657143   0.10332012 0.0047076313    3.8763827    0.9927955   0.94558506    1.0356629            0            0            0            0            0        14000            0            0            0    2429.4864            2 
     800     404.0219    -13035.35    2.0280594     2522.768            9   0.29614163          0.4   0.99235515   0.94241897     1.041911    5.9276206    1380.4406    4611.5881         5.75    0.1123913 0.0041304348    3.8763827   0.99277876   0.94229366     1.041911            0            0            0            0            0        16000            0            0            0    3341.5414            0 
Loop time of 0.0830372 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     800     404.0219    -13035.35    2.0280594     2522.768            9   0.29614163          0.4   0.99235515   0.94241897     1.041911    5.9276206    1380.4406    4611.5881         5.75    0.1123913 0.0041304348    3.8763827   0.99277876   0.94229366     1.041911            0            0            0            0            0        16000            0            0            0    3341.5414            0 
     875     404.0219   -13101.057    2.0280594     2522.768            9   0.29614163          0.4   0.99235515   0.94241897     1.041911    5.9276206    1380.4406    4611.5881    5.2571429    0.1123913 0.0041304348    3.8763827   0.99277876   0.94229366     1.041911            0            0            0            0            0        17500            0            0            0    3341.5414            0 
Loop time of 0.106053 on 4 procs for 75 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     800     404.0219    -13035.35    2.0280349     2522.768            9   0.29614163          0.4   0.99235515   0.94241897     1.041911    5.9276206    1380.4406    4611.5881         5.75    0.1123913 0.0041304348    3.8763827   0.99277876   0.94229366     1.041911            0            0            0            0            0        16000            0            0            0     3339.579            0 
     900    399.91074   -13034.973   0.95275442    3161.8387            5   0.36638548          0.4   0.99295506   0.93909912    1.0481595    5.9276206    1380.4406    4500.9735    5.7177778   0.12436844 0.0038865138    3.8763827   0.99275079   0.93842885    1.0481595            0            0            0            0            0        18000            0            0            0    1628.7316            2 
Loop time of 0.0954949 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     900    399.91074   -13034.973   0.95275442    3161.8387            5   0.36638548          0.4   0.99295506   0.93909912    1.0481595    5.9276206    1380.4406    4500.9735    5.7177778   0.12436844 0.0038865138    3.8763827   0.99275079   0.93842885    1.0481595            0            0            0            0            0        18000            0            0            0    1628.7316            2 
     976    399.91074   -13102.244   0.95275442    3161.8387            5   0.36638548          0.4   0.99295506   0.93909912    1.0481595    5.9276206    1380.4406    4500.9735     5.272541   0.12436844 0.0038865138    3.8763827   0.99275079   0.93842885    1.0481595            0            0            0            0            0        19520            0            0            0    1628.7316            2 
Loop time of 0.0902783 on 4 procs for 76 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
     900    399.91074   -13034.973   0.95307991    3160.9514            5   0.42271366          0.4   0.99267641   0.93909912    1.0481595    5.9292845    1379.4982    4500.9735    5.7177778   0.12436844 0.0038865138    3.8763827   0.99275079   0.93842885    1.0481595    2.7471779            0            0            0            0        18000            1            1            4    1627.8857            2 
    1000    417.82316   -13039.554    1.4089391    6086.7002            6    0.2668611          0.4   0.99526586   0.94236305    1.0494983    5.9292845    1379.4982    4302.6407        5.774   0.12573606 0.0034638033    3.8763827   0.99291291   0.93842885    1.0529963    2.7471779            0            0            0            0        20000            1            1            4    10750.027            0 
Loop time of 0.0780252 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1000    417.82316   -13039.554    1.4089391    6086.7002            6    0.2668611          0.4   0.99526586   0.94236305    1.0494983    5.9292845    1379.4982    4302.6407        5.774   0.12573606 0.0034638033    3.8763827   0.99291291   0.93842885    1.0529963    2.7471779            0            0            0            0        20000            1            1            4    10750.027            0 
    1069    417.82316   -13102.244    1.4089391    6086.7002            6    0.2668611          0.4   0.99526586   0.94236305    1.0494983    5.9292845    1379.4982    4302.6407    5.4013096   0.12573606 0.0034638033    3.8763827   0.99291291   0.93842885    1.0529963    2.7471779            0            0            0            0        21380            1            1            4    10750.027            0 
Loop time of 0.0806106 on 4 procs for 69 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1000    417.82316   -13039.554    1.4087876    6086.7002            6    0.2668611          0.4   0.99526586   0.94236305    1.0494983    5.9292845    1379.4982    4302.6407        5.774   0.12573606 0.0034638033    3.8763827   0.99291291   0.93842885    1.0529963    2.7471779            0            0            0            0        20000            1            1            4    10700.259            0 
    1100    388.96194   -13034.299    1.2536756     3347.844            7   0.31351452          0.4   0.99338469   0.94091364    1.0522698    5.9292845    1379.4982    4384.5779    5.7981818   0.11774851 0.0039197241    3.8763827   0.99302197   0.93842885    1.0529963    2.7471779            0            0            0            0        22000            1            1            4    3842.8412            1 
Loop time of 0.078698 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1100    388.96194   -13034.299    1.2536756     3347.844            7   0.31351452          0.4   0.99338469   0.94091364    1.0522698    5.9292845    1379.4982    4384.5779    5.7981818   0.11774851 0.0039197241    3.8763827   0.99302197   0.93842885    1.0529963    2.7471779            0            0            0            0        22000            1            1            4    3842.8412            1 
    1169    388.96194   -13102.244    1.2536756     3347.844            7   0.31351452          0.4   0.99338469   0.94091364    1.0522698    5.9292845    1379.4982    4384.5779    5.4559453   0.11774851 0.0039197241    3.8763827   0.99302197   0.93842885    1.0529963    2.7471779            0            0            0            0        23380            1            1            4    3842.8412            1 
Loop time of 0.0793428 on 4 procs for 69 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1100    388.96194   -13034.299    1.2536216     3347.844            7   0.31351452          0.4   0.99338469   0.94091364    1.0522698    5.9292845    1379.4982    4384.5779    5.7981818   0.11774851 0.0039197241    3.8763827   0.99302197   0.93842885    1.0529963    2.7471779            0            0            0            0        22000            1            1            4     3837.378            1 
    1200    416.13133   -13039.115     1.136132    3568.4524            6   0.35533996          0.4   0.99425562    0.9364246    1.0585182    5.9292845    1379.4982    4306.0803    5.8033333   0.12464101 0.0035898909    4.0254085   0.99310701    0.9364246    1.0585182    2.7471779            0            0            0            0        24000            1            1            4     2979.741            3 
Loop time of 0.0783656 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1200    416.13133   -13039.115     1.136132    3568.4524            6   0.35533996          0.4   0.99425562    0.9364246    1.0585182    5.9292845    1379.4982    4306.0803    5.8033333   0.12464101 0.0035898909    4.0254085   0.99310701    0.9364246    1.0585182    2.7471779            0            0            0            0        24000            1            1            4     2979.741            3 
    1273    416.13133   -13102.244     1.136132    3568.4524            6   0.35533996          0.4   0.99425562    0.9364246    1.0585182    5.9292845    1379.4982    4306.0803     5.470542   0.12464101 0.0035898909    4.0254085   0.99310701    0.9364246    1.0585182    2.7471779            0            0            0            0        25460            1            1            4     2979.741            3 
Loop time of 0.0876518 on 4 procs for 73 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1200    416.13133   -13039.115    1.1361057    3568.4524            6   0.35533996          0.4   0.99425562    0.9364246    1.0585182    5.9292845    1379.4982    4306.0803    5.8033333   0.12464101 0.0035898909    4.0254085   0.99310701    0.9364246    1.0585182    2.7471779            0            0            0            0        24000            1            1            4    2976.9031            3 
    1300    410.00168   -13035.264   0.69108116    2815.6646            5   0.33760803          0.4   0.99554496   0.93639346     1.064754    5.9292845    1379.4982    4219.0606    5.7769231   0.12822903 0.0045272969    4.0475228   0.99322786   0.93631673     1.064754    2.7471779            0            0            0            0        26000            1            1            4    3571.3217            2 
Loop time of 0.0806069 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1300    410.00168   -13035.264   0.69108116    2815.6646            5   0.33760803          0.4   0.99554496   0.93639346     1.064754    5.9292845    1379.4982    4219.0606    5.7769231   0.12822903 0.0045272969    4.0475228   0.99322786   0.93631673     1.064754    2.7471779            0            0            0            0        26000            1            1            4    3571.3217            2 
    1372    410.00168   -13102.244   0.69108116    2815.6646            5   0.33760803          0.4   0.99554496   0.93639346     1.064754    5.9292845    1379.4982    4219.0606    5.4737609   0.12822903 0.0045272969    4.0475228   0.99322786   0.93631673     1.064754    2.7471779            0            0            0            0        27440            1            1            4    3571.3217            2 
Loop time of 0.101343 on 4 procs for 72 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1300    410.00168   -13035.264   0.69104928    2815.6646            5   0.33760803          0.4   0.99554496   0.93639346     1.064754    5.9292845    1379.4982    4219.0606    5.7769231   0.12822903 0.0045272969    4.0475228   0.99322786   0.93631673     1.064754    2.7471779            0            0            0            0        26000            1            1            4    3567.5136            2 
    1400     423.4606   -13036.225     1.703102    2579.4314            7   0.24557477          0.4   0.99782055   0.93345496    1.0682561    5.9292845    1379.4982    4099.3865    5.7721429   0.12609826 0.0042074001    4.0475228   0.99346354   0.93345496    1.0682561    2.7471779            0            0            0            0        28000            1            1            4    2627.7529            0 
Loop time of 0.0779268 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1400     423.4606   -13036.225     1.703102    2579.4314            7   0.24557477          0.4   0.99782055   0.93345496    1.0682561    5.9292845    1379.4982    4099.3865    5.7721429   0.12609826 0.0042074001    4.0475228   0.99346354   0.93345496    1.0682561    2.7471779            0            0            0            0        28000            1            1            4    2627.7529            0 
    1472     423.4606   -13102.244     1.703102    2579.4314            7   0.24557477          0.4   0.99782055   0.93345496    1.0682561    5.9292845    1379.4982    4099.3865    5.4898098   0.12609826 0.0042074001    4.0475228   0.99346354   0.93345496    1.0682561    2.7471779            0            0            0            0        29440            1            1            4    2627.7529            0 
Loop time of 0.0863118 on 4 procs for 72 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1400     423.4606   -13036.225    1.7031193    2579.4314            7   0.24557477          0.4   0.99782055   0.93345496    1.0682561    5.9292845    1379.4982    4099.3865    5.7721429   0.12609826 0.0042074001    4.0475228   0.99346354   0.93345496    1.0682561    2.7471779            0            0            0            0        28000            1            1            4    2626.4636            0 
    1500    417.42191   -13035.425   0.63879915    3265.9276            5   0.29228757          0.4    1.0007582   0.93528148    1.0742773    5.9292845    1379.4982    3967.4215        5.808   0.12396694  0.003902663    4.0475228   0.99383929    0.9320167    1.0742773    2.7471779            0            0            0            0        30000            1            1            4     1469.864            0 
Loop time of 0.078608 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1500    417.42191   -13035.425   0.63879915    3265.9276            5   0.29228757          0.4    1.0007582   0.93528148    1.0742773    5.9292845    1379.4982    3967.4215        5.808   0.12396694  0.003902663    4.0475228   0.99383929    0.9320167    1.0742773    2.7471779            0            0            0            0        30000            1            1            4     1469.864            0 
    1575    417.42191   -13102.244   0.63879915    3265.9276            5   0.29228757          0.4    1.0007582   0.93528148    1.0742773    5.9292845    1379.4982    3967.4215    5.5314286   0.12396694  0.003902663    4.0475228   0.99383929    0.9320167    1.0742773    2.7471779            0            0            0            0        31500            1            1            4     1469.864            0 
Loop time of 0.0875254 on 4 procs for 75 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1500    417.42191   -13035.425   0.63881053    3265.9276            5   0.29228757          0.4    1.0007582   0.93528148    1.0742773    5.9292845    1379.4982    3967.4215        5.808   0.12396694  0.003902663    4.0475228   0.99383929    0.9320167    1.0742773    2.7471779            0            0            0            0        30000            1            1            4    1469.1489            0 
    1600    401.08407   -13036.858    2.3070534     2462.029            9   0.26709092          0.4    1.0019205   0.93145421    1.0802698    5.9292845    1379.4982    3922.9667      5.83625   0.12368816 0.0036410366    4.0475228    0.9942857   0.93077554    1.0802698    2.7471779            0            0            0            0        32000            1            1            4    5228.0098            0 
Loop time of 0.0780517 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1600    401.08407   -13036.858    2.3070534     2462.029            9   0.26709092          0.4    1.0019205   0.93145421    1.0802698    5.9292845    1379.4982    3922.9667      5.83625   0.12368816 0.0036410366    4.0475228    0.9942857   0.93077554    1.0802698    2.7471779            0            0            0            0        32000            1            1            4    5228.0098            0 
    1667    401.08407   -13102.244    2.3070534     2462.029            9   0.26709092          0.4    1.0019205   0.93145421    1.0802698    5.9292845    1379.4982    3922.9667    5.6016797   0.12368816 0.0036410366    4.0475228    0.9942857   0.93077554    1.0802698    2.7471779            0            0            0            0        33340            1            1            4    5228.0098            0 
Loop time of 0.0795826 on 4 procs for 67 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1600    401.08407   -13036.858    2.3069745     2462.029            9   0.26709092          0.4    1.0019205   0.93145421    1.0802698    5.9292845    1379.4982    3922.9667      5.83625   0.12368816 0.0036410366    4.0475228    0.9942857   0.93077554    1.0802698    2.7471779            0            0            0            0        32000            1            1            4    5216.9826            0 
    1700    390.57304   -13035.592   0.75779993    1179.4046            6   0.28725951          0.4    1.0026134    0.9311732    1.0858013    5.9292845    1379.4982    3901.4109    5.8264706   0.12155477  0.003634528    4.0475228   0.99473366   0.93050239    1.0858013    2.7471779            0            0            0            0        34000            1            1            4    400.12853            0 
Loop time of 0.0782826 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1700    390.57304   -13035.592   0.75779993    1179.4046            6   0.28725951          0.4    1.0026134    0.9311732    1.0858013    5.9292845    1379.4982    3901.4109    5.8264706   0.12155477  0.003634528    4.0475228   0.99473366   0.93050239    1.0858013    2.7471779            0            0            0            0        34000            1            1            4    400.12853            0 
    1769    390.57304   -13102.244   0.75779993    1179.4046            6   0.28725951          0.4    1.0026134    0.9311732    1.0858013    5.9292845    1379.4982    3901.4109    5.5992086   0.12155477  0.003634528    4.0475228   0.99473366   0.93050239    1.0858013    2.7471779            0            0            0            0        35380            1            1            4    400.12853            0 
Loop time of 0.0823042 on 4 procs for 69 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1700    390.57304   -13035.592   0.75783515    1179.4046            6   0.28725951          0.4    1.0026134    0.9311732    1.0858013    5.9292845    1379.4982    3901.4109    5.8264706   0.12155477  0.003634528    4.0475228   0.99473366   0.93050239    1.0858013    2.7471779            0            0            0            0        34000            1            1            4    400.32271            0 
    1800    398.05229   -13039.968    1.4993394    4237.7772            6   0.25966095          0.4    1.0035311     0.929455    1.0894688    5.9292845    1379.4982     3874.257    5.8227778   0.11487453 0.0034347868    4.0475228   0.99520141     0.929455    1.0894875    2.7471779            0            0            0            0        36000            1            1            4    5377.4056            0 
Loop time of 0.07784 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1800    398.05229   -13039.968    1.4993394    4237.7772            6   0.25966095          0.4    1.0035311     0.929455    1.0894688    5.9292845    1379.4982     3874.257    5.8227778   0.11487453 0.0034347868    4.0475228   0.99520141     0.929455    1.0894875    2.7471779            0            0            0            0        36000            1            1            4    5377.4056            0 
    1870    398.05229   -13102.244    1.4993394    4237.7772            6   0.25966095          0.4    1.0035311     0.929455    1.0894688    5.9292845    1379.4982     3874.257    5.6048128   0.11487453 0.0034347868    4.0475228   0.99520141     0.929455    1.0894875    2.7471779            0            0            0            0        37400            1            1            4    5377.4056            0 
Loop time of 0.0836493 on 4 procs for 70 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1800    398.05229   -13039.968    1.4993215    4237.7772            6   0.25966095          0.4    1.0035311     0.929455    1.0894688    5.9292845    1379.4982     3874.257    5.8227778   0.11487453 0.0034347868    4.0475228   0.99520141     0.929455    1.0894875    2.7471779            0            0            0            0        36000            1            1            4    5369.6279            0 
    1900    413.06274   -13039.873    1.3826465    7339.1562            5   0.22717549          0.4     0.999658   0.92261066    1.0792934    5.9292845    1379.4982    4011.3391    5.8310526   0.11065981 0.0032493907    4.0475228   0.99552368   0.92261066    1.0894875    2.7471779            0            0            0            0        38000            1            1            4     10818.73            0 
Loop time of 0.0805019 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1900    413.06274   -13039.873    1.3826465    7339.1562            5   0.22717549          0.4     0.999658   0.92261066    1.0792934    5.9292845    1379.4982    4011.3391    5.8310526   0.11065981 0.0032493907    4.0475228   0.99552368   0.92261066    1.0894875    2.7471779            0            0            0            0        38000            1            1            4     10818.73            0 
    1969    413.06274   -13102.244    1.3826465    7339.1562            5   0.22717549          0.4     0.999658   0.92261066    1.0792934    5.9292845    1379.4982    4011.3391    5.6267141   0.11065981 0.0032493907    4.0475228   0.99552368   0.92261066    1.0894875    2.7471779            0            0            0            0        39380            1            1            4     10818.73            0 
Loop time of 0.0814294 on 4 procs for 69 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    1900    413.06274   -13039.873    1.3825572    7339.1562            5   0.22717549          0.4     0.999658   0.92261066    1.0792934    5.9292845    1379.4982    4011.3391    5.8310526   0.11065981 0.0032493907    4.0475228   0.99552368   0.92261066    1.0894875    2.7471779            0            0            0            0        38000            1            1            4    10781.258            0 
    2000    399.72382   -13038.217    1.1754671    2735.2303            6   0.31028081          0.4   0.99858834   0.92453074    1.0748234    5.9292845    1379.4982    4045.0012        5.811   0.10841507 0.0030975736    4.0475228   0.99572029     0.922532    1.0894875    2.7471779            0            0            0            0        40000            1            1            4    2622.0819            1 
Loop time of 0.0794099 on 4 procs for 100 steps with 2354 atoms

Step Temp PotEng f_HL f_HL[1] f_HL[2] f_HL[3] f_HL[4] f_HL[5] f_HL[6] f_HL[7] f_HL[8] f_HL[9] f_HL[10] f_HL[11] f_HL[12] f_HL[13] f_HL[14] f_HL[15] f_HL[16] f_HL[17] f_HL[18] f_HL[19] f_HL[20] f_HL[21] f_HL[22] f_HL[23] f_HL[24] f_HL[25] f_HL[26] f_HL[27] f_HL[28] 
    2000    399.72382   -13038.217    1.1754671    2735.2303            6   0.31028081          0.4   0.99858834   0.92453074    1.0748234    5.9292845    1379.4982    4045.0012        5.811   0.10841507 0.0030975736    4.0475228   0.99572029     0.922532    1.0894875    2.7471779            0            0            0            0        40000            1            1            4    2622.0819            1 
    2071    399.72382   -13102.244    1.1754671    2735.2303            6   0.31028081          0.4   0.99858834   0.92453074    1.0748234    5.9292845    1379.4982    4045.0012    5.6117817   0.10841507 0.0030975736    4.0475228   0.99572029     0.922532    1.0894875    2.7471779            0            0            0            0        41420            1            1            4    2622.0819            1 
Loop time of 0.0837786 on 4 procs for 71 steps with 2354 atoms

Final hyper stats ...

Cummulative quantities for fix hyper:
  hyper time = 40000
  time boost factor = 4000
  event timesteps = 1
  # of atoms in events = 1
Quantities for this hyper run:
  event timesteps = 1
  # of atoms in events = 1
  max length of any bond = 4.04752
  max drift distance of any atom = 2.74718
  fraction of biased bonds with zero bias = 0.108415
  fraction of biased bonds with negative strain = 0.00309757
Current quantities:
  ave bonds/atom = 5.92928
Cummulative quantities specific to fix hyper/local:
  # of new bonds formed = 4
  max bonds/atom = 12
Quantities for this hyper run specific to fix hyper/local:
  ave boost for all bonds/step = 4045
  ave biased bonds/step = 5.811
  ave bias coeff of all bonds = 0.99572
  min bias coeff of any bond = 0.922532
  max bias coeff of any bond = 1.08949
  max dist from my subbox of any non-maxstrain bond ghost atom = 0
  max dist from my box of any bond ghost atom = 0
  count of bond ghost neighbors not found on reneighbor steps = 0
  bias overlaps = 0
  CPU time for bond builds = 0.00247526
Current quantities specific to fix hyper/local:
  neighbor bonds/bond = 1379.5
  ave boost coeff for all bonds = 0.998588

Loop time of 3.52992 on 4 procs for 2000 steps with 2354 atoms

Performance: 244.765 ns/day, 0.098 hours/ns, 566.585 timesteps/s
114.7% CPU use with 4 MPI tasks x 1 OpenMP threads

Hyper stats:
  Dynamics time (%) = 1.59393 (45.1549)
  Quench   time (%) = 1.71979 (48.7203)
  Other    time (%) = 0.219256 (6.21136)

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.4735     | 2.4914     | 2.5135     |   1.0 | 70.58
Neigh   | 0.11535    | 0.11805    | 0.12056    |   0.7 |  3.34
Comm    | 0.20734    | 0.21636    | 0.22119    |   1.1 |  6.13
Output  | 0.00089145 | 0.0014108  | 0.0029645  |   2.4 |  0.04
Modify  | 0.47314    | 0.48343    | 0.49869    |   1.4 | 13.70
Other   |            | 0.2193     |            |       |  6.21

Nlocal:    588.5 ave 607 max 577 min
Histogram: 1 0 2 0 0 0 0 0 0 1
Nghost:    1965.75 ave 1977 max 1947 min
Histogram: 1 0 0 0 0 0 1 0 1 1
Neighs:    13775.8 ave 14221 max 13511 min
Histogram: 1 1 0 1 0 0 0 0 0 1
FullNghs:  136920 ave 139934 max 133922 min
Histogram: 1 0 0 1 0 0 1 0 0 1

Total # of neighbors = 547678
Ave neighs/atom = 232.658
Neighbor list builds = 193
Dangerous builds = 0
Total wall time: 0:00:04
